6-iodo-N-(2-methoxyethyl)hexan-1-amine

C9H20INO — CID 107844777

IUPAC6-iodo-N-(2-methoxyethyl)hexan-1-amine
SMILESCOCCNCCCCCCI
InChIInChI=1S/C9H20INO/c1-12-9-8-11-7-5-3-2-4-6-10/h11H,2-9H2,1H3
InChIKeyZJVRTIDKJZTQJC-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.22
Rot. Bonds9

About 6-iodo-N-(2-methoxyethyl)hexan-1-amine

6-iodo-N-(2-methoxyethyl)hexan-1-amine (PubChem CID 107844777) has the molecular formula C9H20INO and a molecular weight of 285.17 g/mol. Its IUPAC name is 6-iodo-N-(2-methoxyethyl)hexan-1-amine.

Molecular Properties

Compound Name6-iodo-N-(2-methoxyethyl)hexan-1-amine
PubChem CID107844777
Molecular FormulaC9H20INO
Molecular Weight285.17 g/mol
Exact Mass285.06
IUPAC Name6-iodo-N-(2-methoxyethyl)hexan-1-amine
SMILESCOCCNCCCCCCI
InChIInChI=1S/C9H20INO/c1-12-9-8-11-7-5-3-2-4-6-10/h11H,2-9H2,1H3
InChIKeyZJVRTIDKJZTQJC-UHFFFAOYSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-iodo-N-(3-methoxypropyl)butan-1-amine
CID 106844640
6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine
CID 107844873
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
ethane;N-(2-methoxyethyl)hexan-1-amine
CID 177359501
12-iodo-N-propyldodecan-1-amine
CID 166998294
N-(4-iodobutyl)octan-1-amine
CID 106844597
N-(2-methoxyethyl)dec-9-en-1-amine
CID 107010461
N-(2-methoxyethyl)-5-methylhexan-1-amine
CID 62603286
N-ethyl-7-iodoheptan-1-amine
CID 152937325
N-(4-methoxybutyl)tetradecan-1-amine
CID 145085752
5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine
CID 107320059
6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine
CID 177359477

Frequently Asked Questions

What is the IUPAC name of 6-iodo-N-(2-methoxyethyl)hexan-1-amine?
The IUPAC name of 6-iodo-N-(2-methoxyethyl)hexan-1-amine (CID 107844777) is 6-iodo-N-(2-methoxyethyl)hexan-1-amine.
What is the SMILES notation for 6-iodo-N-(2-methoxyethyl)hexan-1-amine?
The canonical SMILES for 6-iodo-N-(2-methoxyethyl)hexan-1-amine is COCCNCCCCCCI.
What is the InChIKey of 6-iodo-N-(2-methoxyethyl)hexan-1-amine?
The InChIKey is ZJVRTIDKJZTQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20INO/c1-12-9-8-11-7-5-3-2-4-6-10/h11H,2-9H2,1H3.
What are the key properties of 6-iodo-N-(2-methoxyethyl)hexan-1-amine?
6-iodo-N-(2-methoxyethyl)hexan-1-amine has a molecular weight of 285.17 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-N-(2-methoxyethyl)hexan-1-amine is sourced from PubChem (CID 107844777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).